SCHEMBL14237456

SCHEMBL14237456

COc1ccc(OC(F)(F)F)c(-c2ccc(NC(=O)c3conc3C)nc2N)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 13/20 0.76
SCN5A Q14524 2/20 0.76
SCN9A Q15858 2/20 0.76
SCN2A Q99250 1/20 0.76
SCN3A Q9NY46 1/20 0.76
SCN1A P35498 1/20 0.48
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 2/20 0.39
MITF O75030 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KIT P10721 2/20 0.38
KDR P35968 2/20 0.38
FLT3 P36888 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14237664 0.91 SCN10A (0.72) SCN10ASCN5ASCN9ASCN2ASCN3A
SCHEMBL263316 0.89 SCN10A (0.81) SCN10ASCN5ASCN9ASCN2ASCN3A
SCHEMBL263206 0.89 SCN10A (0.77) SCN10ASCN5ASCN9ASCN2ASCN3A
SCHEMBL262780 0.86 SCN10A (1.00) SCN10ASCN5ASCN9ASCN2ASCN3A
SCHEMBL14237436 0.86 SCN10A (0.70) SCN10ASCN5ASCN9ASCN2ASCN3A
SCHEMBL264547 0.85 SCN10A (0.80) SCN10ASCN5ASCN9ASCN2ASCN3A
SCHEMBL263118 0.84 SCN10A (1.00) SCN10ASCN5ASCN9ASCN2ASCN3A
SCHEMBL14237596 0.83 SCN10A (0.65) SCN10ASCN5ASCN9ASCN2ASCN3A
SCHEMBL262795 0.81 SCN10A (0.75) SCN10ASCN5ASCN9ASCN2ASCN3A
SCHEMBL14237458 0.80 SCN10A (0.81) SCN10ASCN5ASCN9ASCN2ASCN3A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183241-B1 2-PYRIDINE CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS PFIZER LTD (GB) 2012-12-19 EP disclosed